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Chrysoine Resorcinol
CAS: 547-57-9 | C12H10N2NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 547-57-9
- Molecular Formula
- C12H10N2NaO5S
- Molecular Mass
- 317.28 g/mol
Identifiers
CAS Registry Number
547-57-9
SMILES
O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1.[Na]
InChI Key
IHFYTCCYSYGTME-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);
Names and Synonyms
- Chrysoine Resorcinol Common Name
- Dermina Yellow G Synonym
- Benzenesulfonic acid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-, sodium salt (1:1) Synonym
- Chrysoin S Synonym
- C.I. Acid Orange 6 Synonym
- C.I. Acid Orange 6, monosodium salt Synonym
- Benzenesulfonic acid, 4-[(2,4-dihydroxyphenyl)azo]-, monosodium salt Synonym
- Benzenesulfonic acid, p-(2,4-dihydroxyphenylazo)-, sodium salt Synonym
- C.I. 14270 Synonym
- Acid Leather Yellow PGW Synonym
- Acid Phosphine G New Synonym
- Acme Yellow Acid Yellow RS Synonym
- Cetil Chromine Yellow GR Synonym
- Chrysoin G Synonym
- Chrysoine Synonym
- Chrysoine N Synonym
- Chrysoine S Synonym
- Chrysoine Extra Synonym
- Chrysoine Extra Pure A Synonym
- Chrysoine S Extra Pure Synonym
- Chrysoin S Specially Pure Synonym
- C.I. Food Yellow 8 Synonym
- Curol Orange G Synonym
- 2,4-Dihydroxyazobenzene-4′-sulfonate sodium salt Synonym
- Eniacid Yellow RS Synonym
- Eurocert Chrysoine S Synonym
- Gold yellow Synonym
- Hispacid Yellow CG Synonym
- Naphthazine Yellow RP Synonym
- Neklacid Yellow G Synonym
- Orange Acid G Synonym
- Resorcine Yellow Synonym
- Resorcine Yellow O Extra Synonym
- Resorcinol yellow Synonym
- Resorcinol Yellow A Synonym
- Resorcin yellow Synonym
- Sodium azoresorcinolsulfanilate Synonym
- Tertracid Yellow TRO Synonym
- Tropaeolin O Synonym
- Tropaeolin R Synonym
- Tropaeoline Synonym
- Yellow T Synonym
- Chrysonine S Synonym
- Tropeolin O Synonym
- E 103 (dye) Synonym
- E 103 Synonym
- Acid Orange 6 Synonym
- C Yellow 12 Synonym
- Orange VI Synonym
- Chrysoin Synonym
- Tropaeolin Synonym
- Food Yellow 8 Synonym
- Food Yellow No. 8 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 317.28 g/mol | CAS Common Chemistry |
| 317.278 g/mol | RDKit | |
| 318.279 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chrysoine_resorcinol | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC=C(N=NC2=CC=C(O)C=C2O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19); | CAS Common Chemistry |
| InChI Key | InChIKey=IHFYTCCYSYGTME-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Acid Orange 6 | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 119.55000000000001 Ų | RDKit |
| 119.55 Ų | RDKit | |
| LogP | 2.3791 | RDKit |
| Molar Refractivity | 75.95820000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 317.0208117 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
